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Ab initio reconstruction of difference densities by charge flipping

Result description

The charge flipping algorithm in its band flipping variant is used to reconstruct density difference between a superstructure and average structure from superstructure reflections only. This technique can be used for structure solution of superstructures, some types of twins and intergrowths of polytypes as well as for solution of modulated structures and superstructures of quasicrystals.

Keywords

structure solutionsuperstructureband flipping

The result's identifiers

Alternative languages

  • Result language

    angličtina

  • Original language name

    Ab initio reconstruction of difference densities by charge flipping

  • Original language description

    The charge flipping algorithm in its band flipping variant is used to reconstruct density difference between a superstructure and average structure from superstructure reflections only. This technique can be used for structure solution of superstructures, some types of twins and intergrowths of polytypes as well as for solution of modulated structures and superstructures of quasicrystals.

  • Czech name

  • Czech description

Classification

  • Type

    Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    BM - Solid-state physics and magnetism

  • OECD FORD branch

Result continuities

  • Project

  • Continuities

    Z - Vyzkumny zamer (s odkazem do CEZ)

Others

  • Publication year

    2011

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Acta Crystallographica section A - Foundations of Crystallography

  • ISSN

    0108-7673

  • e-ISSN

  • Volume of the periodical

    67

  • Issue of the periodical within the volume

    1

  • Country of publishing house

    DK - DENMARK

  • Number of pages

    12

  • Pages from-to

    9-20

  • UT code for WoS article

    000285520100002

  • EID of the result in the Scopus database

Basic information

Result type

Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

Jx

CEP

BM - Solid-state physics and magnetism

Year of implementation

2011